3-bromo-4-fluoro-6-methoxy-2-pyrrolidin-3-ylphenol

C11H13BrFNO2 — CID 117468431

IUPAC3-bromo-4-fluoro-6-methoxy-2-pyrrolidin-3-ylphenol
SMILESCOc1cc(F)c(Br)c(C2CCNC2)c1O
InChIInChI=1S/C11H13BrFNO2/c1-16-8-4-7(13)10(12)9(11(8)15)6-2-3-14-5-6/h4,6,14-15H,2-3,5H2,1H3
InChIKeyPFCHOQJATKPTEG-UHFFFAOYSA-N
MW290.13 g/mol
LogP2.38
Rot. Bonds2

About 3-bromo-4-fluoro-6-methoxy-2-pyrrolidin-3-ylphenol

3-bromo-4-fluoro-6-methoxy-2-pyrrolidin-3-ylphenol (PubChem CID 117468431) has the molecular formula C11H13BrFNO2 and a molecular weight of 290.13 g/mol. Its IUPAC name is 3-bromo-4-fluoro-6-methoxy-2-pyrrolidin-3-ylphenol.

Molecular Properties

Compound Name3-bromo-4-fluoro-6-methoxy-2-pyrrolidin-3-ylphenol
PubChem CID117468431
Molecular FormulaC11H13BrFNO2
Molecular Weight290.13 g/mol
Exact Mass289.01
IUPAC Name3-bromo-4-fluoro-6-methoxy-2-pyrrolidin-3-ylphenol
SMILESCOc1cc(F)c(Br)c(C2CCNC2)c1O
InChIInChI=1S/C11H13BrFNO2/c1-16-8-4-7(13)10(12)9(11(8)15)6-2-3-14-5-6/h4,6,14-15H,2-3,5H2,1H3
InChIKeyPFCHOQJATKPTEG-UHFFFAOYSA-N
XLogP2.38
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.13
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-3-fluoro-6-methoxy-2-pyrrolidin-3-ylphenol
CID 117366622
3-(4-fluoro-2,6-dimethoxyphenyl)pyrrolidine
CID 117323606
3-(2,3-difluoro-5,6-dimethoxyphenyl)pyrrolidine
CID 117359549
3,5-difluoro-2-methoxy-6-pyrrolidin-3-ylphenol
CID 84692495
3-(6-bromo-2-fluoro-3,4-dimethoxyphenyl)pyrrolidine
CID 117489218
3-(2-fluoro-6-methoxyphenyl)pyrrolidine;hydrochloride
CID 169498266
3-(2-bromo-6-methoxy-3-methylphenyl)pyrrolidine
CID 84808969
2,6-difluoro-4-pyrrolidin-3-ylphenol
CID 84775153
3-fluoro-5-methoxy-4-piperidin-4-ylphenol
CID 84790128
2,6-difluoro-3-methoxy-4-pyrrolidin-3-ylphenol
CID 84792614
3-(5-fluoro-4-methoxy-2-methylphenyl)pyrrolidine
CID 84780694
3-(5-fluoro-2-methoxy-4-methylphenyl)pyrrolidine
CID 84676979

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-fluoro-6-methoxy-2-pyrrolidin-3-ylphenol?
The IUPAC name of 3-bromo-4-fluoro-6-methoxy-2-pyrrolidin-3-ylphenol (CID 117468431) is 3-bromo-4-fluoro-6-methoxy-2-pyrrolidin-3-ylphenol.
What is the SMILES notation for 3-bromo-4-fluoro-6-methoxy-2-pyrrolidin-3-ylphenol?
The canonical SMILES for 3-bromo-4-fluoro-6-methoxy-2-pyrrolidin-3-ylphenol is COc1cc(F)c(Br)c(C2CCNC2)c1O.
What is the InChIKey of 3-bromo-4-fluoro-6-methoxy-2-pyrrolidin-3-ylphenol?
The InChIKey is PFCHOQJATKPTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFNO2/c1-16-8-4-7(13)10(12)9(11(8)15)6-2-3-14-5-6/h4,6,14-15H,2-3,5H2,1H3.
What are the key properties of 3-bromo-4-fluoro-6-methoxy-2-pyrrolidin-3-ylphenol?
3-bromo-4-fluoro-6-methoxy-2-pyrrolidin-3-ylphenol has a molecular weight of 290.13 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-fluoro-6-methoxy-2-pyrrolidin-3-ylphenol is sourced from PubChem (CID 117468431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).